USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 290 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -157:sc= 0.128 (180deg=0.0369) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 88:sc= 0.491 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.036 X(o=-0.036,f=0) USER MOD Single : A 19 THR OG1 : rot -41:sc= 0.0194 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0787 USER MOD Single : A 23 ASN : amide:sc= -0.0458 K(o=-0.046,f=-2.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -3.644 -2.429 -1.430 1.00 0.00 N ATOM 2 CA GLU A 1 -4.056 -3.354 -2.557 1.00 0.00 C ATOM 3 C GLU A 1 -3.741 -2.740 -3.977 1.00 0.00 C ATOM 4 O GLU A 1 -4.546 -2.048 -4.594 1.00 0.00 O ATOM 5 CB GLU A 1 -5.488 -3.904 -2.212 1.00 0.00 C ATOM 6 CG GLU A 1 -6.143 -4.902 -3.173 1.00 0.00 C ATOM 7 CD GLU A 1 -7.520 -5.390 -2.771 1.00 0.00 C ATOM 8 OE1 GLU A 1 -8.167 -4.912 -1.836 1.00 0.00 O ATOM 9 OE2 GLU A 1 -7.977 -6.259 -3.727 1.00 0.00 O ATOM 0 H1 GLU A 1 -3.869 -2.873 -0.517 1.00 0.00 H new ATOM 0 H2 GLU A 1 -2.621 -2.249 -1.485 1.00 0.00 H new ATOM 0 H3 GLU A 1 -4.158 -1.529 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 1 -3.447 -4.254 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -5.433 -4.376 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -6.157 -3.049 -2.117 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -6.214 -4.438 -4.157 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -5.486 -5.766 -3.275 1.00 0.00 H new ATOM 18 N LYS A 2 -2.503 -2.931 -4.524 1.00 0.00 N ATOM 19 CA LYS A 2 -2.188 -2.371 -5.877 1.00 0.00 C ATOM 20 C LYS A 2 -2.552 -3.393 -7.057 1.00 0.00 C ATOM 21 O LYS A 2 -2.200 -4.603 -6.996 1.00 0.00 O ATOM 22 CB LYS A 2 -0.691 -1.942 -5.984 1.00 0.00 C ATOM 23 CG LYS A 2 0.451 -2.913 -5.593 1.00 0.00 C ATOM 24 CD LYS A 2 1.894 -2.239 -5.621 1.00 0.00 C ATOM 25 CE LYS A 2 2.213 -1.192 -4.541 1.00 0.00 C ATOM 26 NZ LYS A 2 3.616 -0.679 -4.514 1.00 0.00 N ATOM 0 H LYS A 2 -1.741 -3.441 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.814 -1.487 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.518 -1.647 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.572 -1.047 -5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.260 -3.303 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.443 -3.764 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.637 -3.033 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.025 -1.768 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.541 -0.345 -4.676 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.988 -1.625 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.832 -0.307 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.273 -1.453 -4.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.721 0.081 -5.216 1.00 0.00 H new ATOM 39 N LYS A 3 -3.129 -2.861 -8.100 1.00 0.00 N ATOM 40 CA LYS A 3 -3.377 -3.684 -9.327 1.00 0.00 C ATOM 41 C LYS A 3 -2.473 -3.264 -10.444 1.00 0.00 C ATOM 42 O LYS A 3 -2.873 -2.523 -11.355 1.00 0.00 O ATOM 43 CB LYS A 3 -4.877 -3.719 -9.684 1.00 0.00 C ATOM 44 CG LYS A 3 -5.302 -4.735 -10.724 1.00 0.00 C ATOM 45 CD LYS A 3 -6.749 -4.487 -11.189 1.00 0.00 C ATOM 46 CE LYS A 3 -7.065 -3.387 -12.175 1.00 0.00 C ATOM 47 NZ LYS A 3 -6.653 -3.959 -13.536 1.00 0.00 N ATOM 0 H LYS A 3 -3.441 -1.892 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.116 -4.722 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.440 -3.910 -8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.167 -2.729 -10.036 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.629 -4.686 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.218 -5.740 -10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.111 -5.419 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.345 -4.298 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.124 -3.130 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.512 -2.476 -11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.840 -3.256 -14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.639 -4.188 -13.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.200 -4.822 -13.730 1.00 0.00 H new ATOM 60 N CYS A 4 -1.220 -3.682 -10.434 1.00 0.00 N ATOM 61 CA CYS A 4 -0.266 -3.239 -11.498 1.00 0.00 C ATOM 62 C CYS A 4 -0.258 -3.904 -12.914 1.00 0.00 C ATOM 63 O CYS A 4 -1.191 -4.700 -13.141 1.00 0.00 O ATOM 64 CB CYS A 4 1.056 -3.370 -10.732 1.00 0.00 C ATOM 65 SG CYS A 4 1.007 -2.349 -9.217 1.00 0.00 S ATOM 0 H CYS A 4 -0.824 -4.309 -9.734 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.546 -2.254 -11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.232 -4.414 -10.471 1.00 0.00 H new ATOM 0 HB3 CYS A 4 1.885 -3.055 -11.366 1.00 0.00 H new ATOM 70 N PRO A 5 0.521 -3.667 -13.992 1.00 0.00 N ATOM 71 CA PRO A 5 1.803 -2.949 -13.969 1.00 0.00 C ATOM 72 C PRO A 5 1.940 -1.381 -13.750 1.00 0.00 C ATOM 73 O PRO A 5 2.996 -0.944 -13.319 1.00 0.00 O ATOM 74 CB PRO A 5 2.445 -3.324 -15.318 1.00 0.00 C ATOM 75 CG PRO A 5 1.585 -4.444 -16.065 1.00 0.00 C ATOM 76 CD PRO A 5 0.271 -4.208 -15.362 1.00 0.00 C ATOM 0 HA PRO A 5 2.262 -3.265 -13.032 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.522 -2.438 -15.948 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.460 -3.687 -15.154 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.525 -4.286 -17.142 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.974 -5.451 -15.912 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.338 -3.508 -15.934 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.291 -5.140 -15.298 1.00 0.00 H new ATOM 84 N GLY A 6 0.964 -0.464 -14.073 1.00 0.00 N ATOM 85 CA GLY A 6 1.069 1.026 -13.864 1.00 0.00 C ATOM 86 C GLY A 6 -0.171 1.486 -13.019 1.00 0.00 C ATOM 87 O GLY A 6 -1.267 1.618 -13.568 1.00 0.00 O ATOM 0 H GLY A 6 0.075 -0.742 -14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.996 1.274 -13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 6 1.091 1.545 -14.822 1.00 0.00 H new ATOM 91 N ARG A 7 -0.010 1.735 -11.721 1.00 0.00 N ATOM 92 CA ARG A 7 -1.108 2.212 -10.820 1.00 0.00 C ATOM 93 C ARG A 7 -0.592 3.027 -9.596 1.00 0.00 C ATOM 94 O ARG A 7 0.350 2.511 -8.924 1.00 0.00 O ATOM 95 CB ARG A 7 -2.082 1.073 -10.587 1.00 0.00 C ATOM 96 CG ARG A 7 -3.141 1.138 -9.499 1.00 0.00 C ATOM 97 CD ARG A 7 -4.491 0.542 -9.860 1.00 0.00 C ATOM 98 NE ARG A 7 -5.158 0.065 -8.669 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.422 -0.075 -8.357 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.393 0.349 -9.095 1.00 0.00 N ATOM 101 NH2 ARG A 7 -6.674 -0.560 -7.243 1.00 0.00 N ATOM 0 H ARG A 7 0.883 1.617 -11.242 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.706 2.987 -11.299 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.606 0.908 -11.528 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.485 0.182 -10.394 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.761 0.624 -8.616 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.287 2.182 -9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.107 1.292 -10.356 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.358 -0.278 -10.565 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.519 -0.218 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.195 0.823 -9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.359 0.210 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.913 -0.828 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.643 -0.690 -6.951 1.00 0.00 H new ATOM 114 N CYS A 8 -1.039 4.237 -9.266 1.00 0.00 N ATOM 115 CA CYS A 8 -1.184 4.594 -7.821 1.00 0.00 C ATOM 116 C CYS A 8 -2.632 5.008 -7.302 1.00 0.00 C ATOM 117 O CYS A 8 -3.039 4.609 -6.219 1.00 0.00 O ATOM 118 CB CYS A 8 -0.132 5.670 -7.486 1.00 0.00 C ATOM 119 SG CYS A 8 0.413 5.703 -5.850 1.00 0.00 S ATOM 0 H CYS A 8 -1.301 4.968 -9.928 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.017 3.666 -7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.732 5.521 -8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.549 6.647 -7.730 1.00 0.00 H new ATOM 124 N THR A 9 -3.450 5.633 -8.143 1.00 0.00 N ATOM 125 CA THR A 9 -4.891 5.249 -8.305 1.00 0.00 C ATOM 126 C THR A 9 -5.024 4.756 -9.819 1.00 0.00 C ATOM 127 O THR A 9 -5.183 3.555 -9.928 1.00 0.00 O ATOM 128 CB THR A 9 -5.819 6.363 -7.856 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.605 6.680 -6.510 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.299 6.059 -8.088 1.00 0.00 C ATOM 0 H THR A 9 -3.160 6.412 -8.734 1.00 0.00 H new ATOM 0 HA THR A 9 -5.209 4.434 -7.655 1.00 0.00 H new ATOM 0 HB THR A 9 -5.571 7.221 -8.481 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.898 7.355 -6.441 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.901 6.899 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.475 5.899 -9.152 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.577 5.162 -7.535 1.00 0.00 H new ATOM 138 N LEU A 10 -4.924 5.704 -10.760 1.00 0.00 N ATOM 139 CA LEU A 10 -4.755 5.370 -12.198 1.00 0.00 C ATOM 140 C LEU A 10 -3.288 5.744 -12.737 1.00 0.00 C ATOM 141 O LEU A 10 -2.350 5.635 -11.933 1.00 0.00 O ATOM 142 CB LEU A 10 -5.923 5.913 -13.124 1.00 0.00 C ATOM 143 CG LEU A 10 -6.281 7.404 -13.186 1.00 0.00 C ATOM 144 CD1 LEU A 10 -5.183 8.453 -13.405 1.00 0.00 C ATOM 145 CD2 LEU A 10 -7.346 7.630 -14.261 1.00 0.00 C ATOM 0 H LEU A 10 -4.956 6.704 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.840 4.285 -12.264 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.688 5.603 -14.142 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.829 5.383 -12.831 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.603 7.583 -12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.628 9.448 -13.420 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.456 8.393 -12.596 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.684 8.265 -14.356 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.600 8.689 -14.305 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.960 7.309 -15.229 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.238 7.053 -14.017 1.00 0.00 H new ATOM 157 N LYS A 11 -3.098 6.159 -13.981 1.00 0.00 N ATOM 158 CA LYS A 11 -1.768 6.411 -14.617 1.00 0.00 C ATOM 159 C LYS A 11 -1.258 7.935 -14.602 1.00 0.00 C ATOM 160 O LYS A 11 -1.980 8.816 -14.152 1.00 0.00 O ATOM 161 CB LYS A 11 -1.947 5.791 -15.997 1.00 0.00 C ATOM 162 CG LYS A 11 -1.890 4.248 -16.102 1.00 0.00 C ATOM 163 CD LYS A 11 -1.186 3.695 -17.427 1.00 0.00 C ATOM 164 CE LYS A 11 -1.281 2.226 -17.400 1.00 0.00 C ATOM 165 NZ LYS A 11 -0.377 1.755 -18.419 1.00 0.00 N ATOM 0 H LYS A 11 -3.876 6.342 -14.614 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.946 5.967 -14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.909 6.119 -16.391 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.178 6.201 -16.652 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.358 3.858 -15.234 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.906 3.856 -16.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.675 4.094 -18.316 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.144 4.011 -17.467 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.005 1.834 -16.421 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.301 1.896 -17.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.399 0.716 -18.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.667 2.135 -19.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.588 2.074 -18.201 1.00 0.00 H new ATOM 178 N CYS A 12 -0.028 8.281 -15.039 1.00 0.00 N ATOM 179 CA CYS A 12 0.847 9.498 -14.578 1.00 0.00 C ATOM 180 C CYS A 12 0.442 10.958 -14.938 1.00 0.00 C ATOM 181 O CYS A 12 -0.464 11.161 -15.724 1.00 0.00 O ATOM 182 CB CYS A 12 2.343 9.188 -14.859 1.00 0.00 C ATOM 183 SG CYS A 12 3.167 9.207 -13.231 1.00 0.00 S ATOM 0 H CYS A 12 0.447 7.729 -15.753 1.00 0.00 H new ATOM 0 HA CYS A 12 0.628 9.556 -13.512 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.457 8.219 -15.344 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.778 9.932 -15.527 1.00 0.00 H new ATOM 188 N GLY A 13 1.148 11.943 -14.447 1.00 0.00 N ATOM 189 CA GLY A 13 0.883 13.360 -14.797 1.00 0.00 C ATOM 190 C GLY A 13 2.037 14.334 -14.449 1.00 0.00 C ATOM 191 O GLY A 13 2.752 14.694 -15.361 1.00 0.00 O ATOM 0 H GLY A 13 1.922 11.813 -13.796 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.679 13.425 -15.866 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.019 13.686 -14.280 1.00 0.00 H new ATOM 195 N LYS A 14 2.059 14.891 -13.243 1.00 0.00 N ATOM 196 CA LYS A 14 3.090 15.894 -12.808 1.00 0.00 C ATOM 197 C LYS A 14 4.588 15.384 -12.788 1.00 0.00 C ATOM 198 O LYS A 14 5.251 15.574 -13.837 1.00 0.00 O ATOM 199 CB LYS A 14 2.539 16.532 -11.448 1.00 0.00 C ATOM 200 CG LYS A 14 1.759 17.821 -11.800 1.00 0.00 C ATOM 201 CD LYS A 14 1.145 18.606 -10.632 1.00 0.00 C ATOM 202 CE LYS A 14 0.270 17.810 -9.565 1.00 0.00 C ATOM 203 NZ LYS A 14 -0.221 18.684 -8.496 1.00 0.00 N ATOM 0 H LYS A 14 1.372 14.676 -12.521 1.00 0.00 H new ATOM 0 HA LYS A 14 3.200 16.672 -13.563 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.890 15.824 -10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.364 16.759 -10.773 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.432 18.488 -12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.956 17.554 -12.488 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.958 19.096 -10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.521 19.394 -11.053 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.576 17.341 -10.067 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.868 17.008 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.785 18.126 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.586 19.112 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.813 19.435 -8.906 1.00 0.00 H new ATOM 216 N HIS A 15 5.152 14.831 -11.613 1.00 0.00 N ATOM 217 CA HIS A 15 6.583 14.340 -11.668 1.00 0.00 C ATOM 218 C HIS A 15 6.672 12.810 -11.860 1.00 0.00 C ATOM 219 O HIS A 15 6.712 12.068 -10.887 1.00 0.00 O ATOM 220 CB HIS A 15 7.553 14.907 -10.550 1.00 0.00 C ATOM 221 CG HIS A 15 9.037 14.897 -10.943 1.00 0.00 C ATOM 222 ND1 HIS A 15 9.937 15.303 -10.030 1.00 0.00 N ATOM 223 CD2 HIS A 15 9.736 14.569 -12.168 1.00 0.00 C ATOM 224 CE1 HIS A 15 11.086 15.254 -10.742 1.00 0.00 C ATOM 225 NE2 HIS A 15 11.062 14.843 -12.058 1.00 0.00 N ATOM 0 H HIS A 15 4.678 14.730 -10.716 1.00 0.00 H new ATOM 0 HA HIS A 15 6.987 14.792 -12.573 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.258 15.929 -10.313 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.425 14.319 -9.641 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.266 14.161 -13.051 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.021 15.536 -10.281 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.814 14.767 -12.743 1.00 0.00 H new ATOM 233 N GLU A 16 6.736 12.322 -13.144 1.00 0.00 N ATOM 234 CA GLU A 16 6.160 10.913 -13.439 1.00 0.00 C ATOM 235 C GLU A 16 7.116 9.727 -12.951 1.00 0.00 C ATOM 236 O GLU A 16 8.268 9.691 -13.343 1.00 0.00 O ATOM 237 CB GLU A 16 5.747 10.727 -14.947 1.00 0.00 C ATOM 238 CG GLU A 16 4.821 11.850 -15.493 1.00 0.00 C ATOM 239 CD GLU A 16 4.265 11.758 -16.851 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.443 10.763 -17.596 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.810 12.947 -17.343 1.00 0.00 O ATOM 0 H GLU A 16 7.138 12.813 -13.943 1.00 0.00 H new ATOM 0 HA GLU A 16 5.249 10.850 -12.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.649 10.685 -15.557 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.242 9.768 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.980 11.938 -14.805 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.379 12.785 -15.435 1.00 0.00 H new ATOM 249 N ARG A 17 6.778 8.884 -11.936 1.00 0.00 N ATOM 250 CA ARG A 17 7.816 8.264 -11.052 1.00 0.00 C ATOM 251 C ARG A 17 7.514 6.856 -10.522 1.00 0.00 C ATOM 252 O ARG A 17 6.350 6.609 -10.197 1.00 0.00 O ATOM 253 CB ARG A 17 8.086 9.256 -9.845 1.00 0.00 C ATOM 254 CG ARG A 17 9.150 8.958 -8.752 1.00 0.00 C ATOM 255 CD ARG A 17 10.590 9.456 -8.895 1.00 0.00 C ATOM 256 NE ARG A 17 11.131 8.994 -10.189 1.00 0.00 N ATOM 257 CZ ARG A 17 12.223 9.409 -10.781 1.00 0.00 C ATOM 258 NH1 ARG A 17 13.112 10.120 -10.201 1.00 0.00 N ATOM 259 NH2 ARG A 17 12.317 9.085 -12.015 1.00 0.00 N ATOM 0 H ARG A 17 5.819 8.620 -11.710 1.00 0.00 H new ATOM 0 HA ARG A 17 8.693 8.115 -11.682 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.348 10.219 -10.283 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.135 9.388 -9.329 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.765 9.360 -7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.197 7.875 -8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.619 10.544 -8.841 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.202 9.080 -8.075 1.00 0.00 H new ATOM 0 HE ARG A 17 10.596 8.274 -10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.990 10.393 -9.226 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.944 10.414 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.574 8.545 -12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.135 9.366 -12.555 1.00 0.00 H new ATOM 272 N PRO A 18 8.489 5.866 -10.193 1.00 0.00 N ATOM 273 CA PRO A 18 8.102 4.599 -9.466 1.00 0.00 C ATOM 274 C PRO A 18 7.964 4.585 -7.901 1.00 0.00 C ATOM 275 O PRO A 18 8.973 4.945 -7.216 1.00 0.00 O ATOM 276 CB PRO A 18 9.357 3.710 -9.925 1.00 0.00 C ATOM 277 CG PRO A 18 10.275 4.577 -10.813 1.00 0.00 C ATOM 278 CD PRO A 18 9.956 5.966 -10.363 1.00 0.00 C ATOM 0 HA PRO A 18 7.082 4.303 -9.712 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.904 3.349 -9.054 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.018 2.832 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.327 4.335 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.063 4.436 -11.873 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.464 6.228 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.237 6.716 -11.102 1.00 0.00 H new ATOM 286 N THR A 19 6.850 4.170 -7.274 1.00 0.00 N ATOM 287 CA THR A 19 6.881 3.667 -5.883 1.00 0.00 C ATOM 288 C THR A 19 6.826 4.785 -4.783 1.00 0.00 C ATOM 289 O THR A 19 6.332 4.498 -3.722 1.00 0.00 O ATOM 290 CB THR A 19 7.917 2.522 -5.775 1.00 0.00 C ATOM 291 OG1 THR A 19 7.680 1.504 -6.820 1.00 0.00 O ATOM 292 CG2 THR A 19 7.916 1.676 -4.475 1.00 0.00 C ATOM 0 H THR A 19 5.923 4.171 -7.700 1.00 0.00 H new ATOM 0 HA THR A 19 5.938 3.186 -5.622 1.00 0.00 H new ATOM 0 HB THR A 19 8.852 3.079 -5.844 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.717 1.347 -6.912 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.691 0.912 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.112 2.323 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.944 1.197 -4.353 1.00 0.00 H new ATOM 300 N LEU A 20 7.200 6.026 -5.019 1.00 0.00 N ATOM 301 CA LEU A 20 7.122 7.133 -4.006 1.00 0.00 C ATOM 302 C LEU A 20 5.635 7.812 -3.928 1.00 0.00 C ATOM 303 O LEU A 20 5.050 8.025 -5.009 1.00 0.00 O ATOM 304 CB LEU A 20 8.172 8.213 -4.468 1.00 0.00 C ATOM 305 CG LEU A 20 9.677 7.830 -4.650 1.00 0.00 C ATOM 306 CD1 LEU A 20 10.617 8.962 -4.513 1.00 0.00 C ATOM 307 CD2 LEU A 20 10.163 6.633 -3.787 1.00 0.00 C ATOM 0 H LEU A 20 7.574 6.328 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 20 7.328 6.739 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.824 8.613 -5.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.133 9.029 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 20 9.696 7.503 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.638 8.606 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.389 9.717 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.519 9.398 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.218 6.446 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.028 6.867 -2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.584 5.744 -4.039 1.00 0.00 H new ATOM 319 N PRO A 21 5.063 8.056 -2.706 1.00 0.00 N ATOM 320 CA PRO A 21 3.964 9.028 -2.639 1.00 0.00 C ATOM 321 C PRO A 21 4.431 10.479 -2.822 1.00 0.00 C ATOM 322 O PRO A 21 5.205 10.955 -1.969 1.00 0.00 O ATOM 323 CB PRO A 21 3.419 8.689 -1.227 1.00 0.00 C ATOM 324 CG PRO A 21 4.643 8.226 -0.397 1.00 0.00 C ATOM 325 CD PRO A 21 5.515 7.469 -1.390 1.00 0.00 C ATOM 0 HA PRO A 21 3.219 8.959 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.946 9.559 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.663 7.905 -1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.176 9.075 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.341 7.587 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.577 7.635 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.348 6.393 -1.343 1.00 0.00 H new ATOM 333 N TYR A 22 4.271 11.067 -3.981 1.00 0.00 N ATOM 334 CA TYR A 22 5.219 12.096 -4.500 1.00 0.00 C ATOM 335 C TYR A 22 4.604 13.378 -5.163 1.00 0.00 C ATOM 336 O TYR A 22 4.437 14.374 -4.487 1.00 0.00 O ATOM 337 CB TYR A 22 6.073 11.150 -5.446 1.00 0.00 C ATOM 338 CG TYR A 22 7.307 11.787 -6.097 1.00 0.00 C ATOM 339 CD1 TYR A 22 8.409 11.968 -5.272 1.00 0.00 C ATOM 340 CD2 TYR A 22 7.451 12.042 -7.464 1.00 0.00 C ATOM 341 CE1 TYR A 22 9.674 12.289 -5.799 1.00 0.00 C ATOM 342 CE2 TYR A 22 8.680 12.321 -7.993 1.00 0.00 C ATOM 343 CZ TYR A 22 9.812 12.467 -7.166 1.00 0.00 C ATOM 344 OH TYR A 22 11.074 12.684 -7.695 1.00 0.00 O ATOM 0 H TYR A 22 3.493 10.867 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 22 5.778 12.632 -3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.398 10.287 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.422 10.776 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.293 11.860 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 22 6.584 12.018 -8.107 1.00 0.00 H new ATOM 0 HE1 TYR A 22 10.527 12.395 -5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.785 12.431 -9.062 1.00 0.00 H new ATOM 0 HH TYR A 22 11.008 12.789 -8.667 1.00 0.00 H new ATOM 354 N ASN A 23 4.386 13.365 -6.452 1.00 0.00 N ATOM 355 CA ASN A 23 4.206 14.579 -7.324 1.00 0.00 C ATOM 356 C ASN A 23 3.298 14.143 -8.525 1.00 0.00 C ATOM 357 O ASN A 23 2.224 14.668 -8.742 1.00 0.00 O ATOM 358 CB ASN A 23 5.486 15.297 -7.693 1.00 0.00 C ATOM 359 CG ASN A 23 6.330 16.123 -6.707 1.00 0.00 C ATOM 360 OD1 ASN A 23 5.809 16.826 -5.842 1.00 0.00 O ATOM 361 ND2 ASN A 23 7.659 16.017 -6.673 1.00 0.00 N ATOM 0 H ASN A 23 4.320 12.494 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 23 3.705 15.370 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.153 14.537 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.231 15.970 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.191 16.506 -5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.143 15.447 -7.367 1.00 0.00 H new ATOM 368 N CYS A 24 3.780 13.139 -9.293 1.00 0.00 N ATOM 369 CA CYS A 24 2.755 12.074 -9.816 1.00 0.00 C ATOM 370 C CYS A 24 2.309 11.229 -8.559 1.00 0.00 C ATOM 371 O CYS A 24 2.316 11.683 -7.422 1.00 0.00 O ATOM 372 CB CYS A 24 3.408 11.268 -10.929 1.00 0.00 C ATOM 373 SG CYS A 24 2.246 10.504 -12.015 1.00 0.00 S ATOM 0 H CYS A 24 4.753 13.006 -9.568 1.00 0.00 H new ATOM 0 HA CYS A 24 1.859 12.506 -10.262 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.059 11.923 -11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.041 10.499 -10.487 1.00 0.00 H new ATOM 378 N GLY A 25 1.819 9.916 -8.617 1.00 0.00 N ATOM 379 CA GLY A 25 0.888 9.379 -7.582 1.00 0.00 C ATOM 380 C GLY A 25 1.198 9.486 -6.109 1.00 0.00 C ATOM 381 O GLY A 25 2.168 8.911 -5.638 1.00 0.00 O ATOM 0 H GLY A 25 2.059 9.251 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.075 9.866 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.749 8.320 -7.800 1.00 0.00 H new ATOM 385 N LYS A 26 0.398 10.165 -5.314 1.00 0.00 N ATOM 386 CA LYS A 26 0.540 10.161 -3.840 1.00 0.00 C ATOM 387 C LYS A 26 -0.227 9.021 -3.012 1.00 0.00 C ATOM 388 O LYS A 26 -0.828 9.231 -1.995 1.00 0.00 O ATOM 389 CB LYS A 26 0.403 11.612 -3.395 1.00 0.00 C ATOM 390 CG LYS A 26 0.764 11.988 -1.948 1.00 0.00 C ATOM 391 CD LYS A 26 -0.008 13.257 -1.410 1.00 0.00 C ATOM 392 CE LYS A 26 -1.367 12.773 -0.793 1.00 0.00 C ATOM 393 NZ LYS A 26 -2.344 13.973 -0.817 1.00 0.00 N ATOM 0 H LYS A 26 -0.373 10.740 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 26 1.529 9.797 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.022 12.218 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.631 11.911 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.549 11.140 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.836 12.173 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.588 13.776 -0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.188 13.965 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.772 11.938 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.220 12.419 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.258 13.685 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.948 14.754 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.483 14.288 -1.798 1.00 0.00 H new ATOM 406 N TYR A 27 -0.232 7.812 -3.580 1.00 0.00 N ATOM 407 CA TYR A 27 -1.339 6.838 -3.303 1.00 0.00 C ATOM 408 C TYR A 27 -0.857 5.332 -3.137 1.00 0.00 C ATOM 409 O TYR A 27 -0.023 5.043 -2.259 1.00 0.00 O ATOM 410 CB TYR A 27 -2.391 7.092 -4.468 1.00 0.00 C ATOM 411 CG TYR A 27 -3.059 8.432 -4.652 1.00 0.00 C ATOM 412 CD1 TYR A 27 -3.549 9.158 -3.553 1.00 0.00 C ATOM 413 CD2 TYR A 27 -3.222 8.987 -5.970 1.00 0.00 C ATOM 414 CE1 TYR A 27 -4.252 10.343 -3.751 1.00 0.00 C ATOM 415 CE2 TYR A 27 -3.930 10.187 -6.175 1.00 0.00 C ATOM 416 CZ TYR A 27 -4.461 10.826 -5.081 1.00 0.00 C ATOM 417 OH TYR A 27 -5.079 12.002 -5.285 1.00 0.00 O ATOM 0 H TYR A 27 0.487 7.473 -4.219 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.795 7.004 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.887 6.859 -5.406 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.186 6.357 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.379 8.795 -2.550 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.793 8.473 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.637 10.894 -2.906 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.052 10.595 -7.168 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.137 12.179 -6.247 1.00 0.00 H new ATOM 427 N ILE A 28 -1.296 4.291 -3.891 1.00 0.00 N ATOM 428 CA ILE A 28 -0.648 2.896 -3.773 1.00 0.00 C ATOM 429 C ILE A 28 0.415 2.585 -4.989 1.00 0.00 C ATOM 430 O ILE A 28 0.115 1.908 -5.971 1.00 0.00 O ATOM 431 CB ILE A 28 -1.757 1.765 -3.595 1.00 0.00 C ATOM 432 CG1 ILE A 28 -3.011 1.691 -4.466 1.00 0.00 C ATOM 433 CG2 ILE A 28 -2.235 1.580 -2.121 1.00 0.00 C ATOM 434 CD1 ILE A 28 -2.832 1.574 -6.005 1.00 0.00 C ATOM 0 H ILE A 28 -2.058 4.352 -4.566 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.043 2.889 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.123 0.967 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.597 0.834 -4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.607 2.582 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.989 0.794 -2.079 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.387 1.303 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.664 2.514 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.811 1.532 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.285 2.441 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.275 0.667 -6.239 1.00 0.00 H new ATOM 446 N CYS A 29 1.702 2.939 -4.815 1.00 0.00 N ATOM 447 CA CYS A 29 2.500 3.232 -6.086 1.00 0.00 C ATOM 448 C CYS A 29 3.428 2.120 -6.860 1.00 0.00 C ATOM 449 O CYS A 29 4.476 1.737 -6.426 1.00 0.00 O ATOM 450 CB CYS A 29 3.263 4.528 -5.697 1.00 0.00 C ATOM 451 SG CYS A 29 2.360 6.063 -5.631 1.00 0.00 S ATOM 0 H CYS A 29 2.195 3.031 -3.927 1.00 0.00 H new ATOM 0 HA CYS A 29 1.783 3.278 -6.905 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.712 4.366 -4.717 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.081 4.656 -6.406 1.00 0.00 H new ATOM 456 N CYS A 30 2.945 1.650 -7.972 1.00 0.00 N ATOM 457 CA CYS A 30 3.708 0.999 -9.012 1.00 0.00 C ATOM 458 C CYS A 30 4.557 1.922 -9.870 1.00 0.00 C ATOM 459 O CYS A 30 5.692 2.158 -9.378 1.00 0.00 O ATOM 460 CB CYS A 30 2.771 0.074 -9.801 1.00 0.00 C ATOM 461 SG CYS A 30 2.920 -1.630 -9.187 1.00 0.00 S ATOM 0 H CYS A 30 1.952 1.711 -8.196 1.00 0.00 H new ATOM 0 HA CYS A 30 4.479 0.394 -8.535 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.741 0.416 -9.703 1.00 0.00 H new ATOM 0 HB3 CYS A 30 3.019 0.110 -10.862 1.00 0.00 H new ATOM 466 N VAL A 31 4.251 2.381 -11.139 1.00 0.00 N ATOM 467 CA VAL A 31 5.174 3.230 -11.959 1.00 0.00 C ATOM 468 C VAL A 31 4.484 4.288 -12.996 1.00 0.00 C ATOM 469 O VAL A 31 4.857 5.463 -13.074 1.00 0.00 O ATOM 470 CB VAL A 31 6.473 2.430 -12.405 1.00 0.00 C ATOM 471 CG1 VAL A 31 6.230 1.256 -13.383 1.00 0.00 C ATOM 472 CG2 VAL A 31 7.587 3.396 -13.067 1.00 0.00 C ATOM 0 H VAL A 31 3.369 2.171 -11.607 1.00 0.00 H new ATOM 0 HA VAL A 31 5.574 3.995 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 31 6.825 2.007 -11.464 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.180 0.779 -13.622 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.565 0.527 -12.919 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.773 1.633 -14.298 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.456 2.805 -13.356 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.169 3.882 -13.949 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.888 4.154 -12.343 1.00 0.00 H new ATOM 482 N PRO A 32 3.479 3.879 -13.753 1.00 0.00 N ATOM 483 CA PRO A 32 2.362 4.827 -14.071 1.00 0.00 C ATOM 484 C PRO A 32 1.406 4.930 -12.814 1.00 0.00 C ATOM 485 O PRO A 32 0.331 4.402 -12.661 1.00 0.00 O ATOM 486 CB PRO A 32 1.752 4.238 -15.342 1.00 0.00 C ATOM 487 CG PRO A 32 2.858 3.373 -16.015 1.00 0.00 C ATOM 488 CD PRO A 32 3.817 2.996 -14.927 1.00 0.00 C ATOM 0 HA PRO A 32 2.643 5.863 -14.261 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.878 3.631 -15.106 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.419 5.030 -16.013 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.429 2.485 -16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.363 3.932 -16.802 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.716 1.943 -14.665 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.848 3.148 -15.246 1.00 0.00 H new ATOM 496 N VAL A 33 1.978 5.675 -11.934 1.00 0.00 N ATOM 497 CA VAL A 33 1.318 6.254 -10.690 1.00 0.00 C ATOM 498 C VAL A 33 0.315 7.476 -11.046 1.00 0.00 C ATOM 499 O VAL A 33 0.702 8.336 -11.790 1.00 0.00 O ATOM 500 CB VAL A 33 2.481 6.616 -9.679 1.00 0.00 C ATOM 501 CG1 VAL A 33 3.276 5.394 -9.108 1.00 0.00 C ATOM 502 CG2 VAL A 33 3.600 7.563 -10.129 1.00 0.00 C ATOM 0 H VAL A 33 2.959 5.942 -12.013 1.00 0.00 H new ATOM 0 HA VAL A 33 0.658 5.530 -10.212 1.00 0.00 H new ATOM 0 HB VAL A 33 1.839 7.116 -8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.049 5.749 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.594 4.735 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.739 4.846 -9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.310 7.701 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.114 7.135 -10.990 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.172 8.527 -10.404 1.00 0.00 H new ATOM 512 N LYS A 34 -0.932 7.762 -10.427 1.00 0.00 N ATOM 513 CA LYS A 34 -1.696 9.098 -10.594 1.00 0.00 C ATOM 514 C LYS A 34 -0.981 10.484 -10.287 1.00 0.00 C ATOM 515 O LYS A 34 -0.257 10.967 -11.169 1.00 0.00 O ATOM 516 CB LYS A 34 -3.083 8.896 -10.048 1.00 0.00 C ATOM 517 CG LYS A 34 -4.108 10.033 -10.247 1.00 0.00 C ATOM 518 CD LYS A 34 -5.525 9.904 -9.583 1.00 0.00 C ATOM 519 CE LYS A 34 -6.388 11.062 -10.217 1.00 0.00 C ATOM 520 NZ LYS A 34 -7.780 11.153 -9.719 1.00 0.00 N ATOM 0 H LYS A 34 -1.413 7.096 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.730 9.300 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.493 7.993 -10.500 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.997 8.706 -8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.654 10.953 -9.879 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.257 10.158 -11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.967 8.928 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.463 10.008 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.888 12.012 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.414 10.925 -11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.267 11.941 -10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.280 10.264 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.771 11.318 -8.692 1.00 0.00 H new ATOM 533 N VAL A 35 -1.361 11.305 -9.242 1.00 0.00 N ATOM 534 CA VAL A 35 -0.993 12.700 -9.074 1.00 0.00 C ATOM 535 C VAL A 35 -0.675 13.054 -7.569 1.00 0.00 C ATOM 536 O VAL A 35 -1.282 12.411 -6.699 1.00 0.00 O ATOM 537 CB VAL A 35 -1.961 13.652 -9.815 1.00 0.00 C ATOM 538 CG1 VAL A 35 -2.439 13.254 -11.227 1.00 0.00 C ATOM 539 CG2 VAL A 35 -3.196 14.072 -8.940 1.00 0.00 C ATOM 0 H VAL A 35 -1.954 10.967 -8.484 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.041 12.869 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.301 14.503 -9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.111 14.021 -11.613 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.578 13.159 -11.889 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.966 12.301 -11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.838 14.740 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.759 13.183 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.849 14.585 -8.043 1.00 0.00 H new ATOM 549 N LYS A 36 0.036 14.099 -7.198 1.00 0.00 N ATOM 550 CA LYS A 36 -0.121 14.713 -5.834 1.00 0.00 C ATOM 551 C LYS A 36 -1.527 15.420 -5.488 1.00 0.00 C ATOM 552 O LYS A 36 -2.011 16.359 -6.115 1.00 0.00 O ATOM 553 CB LYS A 36 1.159 15.367 -5.359 1.00 0.00 C ATOM 554 CG LYS A 36 1.599 16.708 -6.022 1.00 0.00 C ATOM 555 CD LYS A 36 2.518 17.609 -5.206 1.00 0.00 C ATOM 556 CE LYS A 36 2.800 18.950 -5.882 1.00 0.00 C ATOM 557 NZ LYS A 36 3.769 19.669 -4.949 1.00 0.00 N ATOM 558 OXT LYS A 36 -2.124 14.860 -4.340 1.00 0.00 O ATOM 0 H LYS A 36 0.727 14.558 -7.791 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.261 13.876 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.064 15.542 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.968 14.649 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.099 16.474 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.702 17.274 -6.271 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.067 17.789 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.461 17.092 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.236 18.809 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.883 19.524 -6.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.009 20.599 -5.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.324 19.796 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.635 19.103 -4.845 1.00 0.00 H new TER 572 LYS A 36